methyl (2S)-1-(2-methyl-4-nitro-2,3-diphenyl-butylidene)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-methyl-4-nitro-2,3-diphenyl-butylidene)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-(2-methyl-4-nitro-2,3-diphenyl-butylidene)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(2-methyl-4-nitro-2,3-diphenylbutylidene)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-methyl-4-nitro-2,3-diphenylbutylidene)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-methyl-4-nitro-2,3-diphenyl-butylidene)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=[N+]1CCCC1C(=O)OC)(C2=CC=CC=C2)C([CH-][N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C=[N+]1CCC[C@H]1C(=O)OC)(C2=CC=CC=C2)C([CH-][N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-23(19-12-7-4-8-13-19,17-24-15-9-14-21(24)22(26)29-2)20(16-25(27)28)18-10-5-3-6-11-18/h3-8,10-13,16-17,20-21H,9,14-15H2,1-2H3/t20?,21-,23?/m0/s1